4XDL
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in complex with a brominated fluoxetine derivative.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-01-26 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.8856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.710, 109.840, 166.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.000 - 3.500 |
R-factor | 0.2366 |
Rwork | 0.235 |
R-free | 0.26330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xdj |
RMSD bond length | 0.009 |
RMSD bond angle | 0.930 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.070 | 3.590 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.092 | 1.846 |
Number of reflections | 24216 | |
<I/σ(I)> | 17.5 | 1.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.4 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2M KCl, 0.1M MES pH 6.5, 0.05M magnesium chloride, 0.001M cadmium chloride, 18% (v/v) PEG500 Dimethylether |